Information card for entry 7715654

Structure parameters

• Formula: C74 H88 Li4 Ni2 O8
• Calculated formula: C74.0005 H88.001 Li4 Ni2 O8
• Title of publication: The coordination of alkali-metal nickelates to organic π-systems: Synthetic, structural and spectroscopic insights
• Authors of publication: Borys, Andryj M.; Vedani, Luca; Hevia, Eva
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 18.8977 ± 0.0002 Å
• b: 19.4534 ± 0.0002 Å
• c: 22.3454 ± 0.0004 Å
• α: 80.141 ± 0.001°
• β: 87.606 ± 0.001°
• γ: 89.551 ± 0.001°
• Cell volume: 8086.34 ± 0.19 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No